SCHEMBL11216809

SCHEMBL11216809

CC(C)(C)c1c(C(=O)O)ccc(C(=O)OO)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
CYP1A2 P05177 2/20 0.38
RXRB P28702 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
ESR1 P03372 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HMGB1 P09429 1/20 0.35
TSHR P16473 1/20 0.35
GGT1 P19440 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BLM P54132 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11177188 0.92 MAPT (0.34) TDP1CYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL4737878 0.89 ALOX15 (0.43) TDP1CYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL4942021 0.85 CYP1A2 (0.50) TDP1CYP1A2RXRBNR1H4EPHX2
SCHEMBL122560 0.81 GLRA3 (0.40) TDP1CYP1A2RXRBNR1H4EPHX2
SCHEMBL122563 0.81 GLRA3 (0.40) TDP1RXRBNR1H4ALDH1A1KDM4E
SCHEMBL1348416 0.81 KMT2A (0.33) TDP1POLBMAPT
Isophthalic Acid SCHEMBL31245588 0.81 RXRA (0.43) TDP1RXRBNR1H4KDM4ECYP2C9
SCHEMBL1348862 0.80 MAPT (0.39) TDP1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL1716755 0.78 GLRA3 (0.40) TDP1RXRBNR1H4ALDH1A1KDM4E
SCHEMBL382358 0.78 GLRA3 (0.36) TDP1CYP1A2RXRBNR1H4EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009268-B1 PROCESS FOR CROSS-LINKING SHAPED NON-POLAR SYNTHETIC RESINS AND ELECTRIC OBJECTS INSULATED WITH SAID CROSSLINKED RESINS AKZO N.V. (NL) 1982-12-01 EP claimed